2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methylpyrazine-2,6-diamine

C12H23N5 — CID 80786246

IUPAC2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(NCC(C)(C)CN(C)C)n1
InChIInChI=1S/C12H23N5/c1-12(2,9-17(4)5)8-15-11-7-14-6-10(13-3)16-11/h6-7H,8-9H2,1-5H3,(H2,13,15,16)
InChIKeyBYKLQDUVDHHHBX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.52
Rot. Bonds6

About 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methylpyrazine-2,6-diamine

2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methylpyrazine-2,6-diamine (PubChem CID 80786246) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methylpyrazine-2,6-diamine
PubChem CID80786246
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(NCC(C)(C)CN(C)C)n1
InChIInChI=1S/C12H23N5/c1-12(2,9-17(4)5)8-15-11-7-14-6-10(13-3)16-11/h6-7H,8-9H2,1-5H3,(H2,13,15,16)
InChIKeyBYKLQDUVDHHHBX-UHFFFAOYSA-N
XLogP1.52
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956669
6-N-methyl-2-N-(2,2,3,3-tetrafluoropropyl)pyrazine-2,6-diamine
CID 106296079
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methylpyrimidine-2,4-diamine
CID 80785044
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile
CID 114765679
N-(2-tert-butyl-6-chloropyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 80949365
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940430
6-N-methyl-2-N-(2,4,4-trimethylpentan-2-yl)pyrazine-2,6-diamine
CID 80812473
6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile
CID 24699115
6-N-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazine-2,6-diamine
CID 106433932
6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine
CID 80784811
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770425
N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 114562209

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methylpyrazine-2,6-diamine (CID 80786246) is 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methylpyrazine-2,6-diamine is CNc1cncc(NCC(C)(C)CN(C)C)n1.
What is the InChIKey of 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methylpyrazine-2,6-diamine?
The InChIKey is BYKLQDUVDHHHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-12(2,9-17(4)5)8-15-11-7-14-6-10(13-3)16-11/h6-7H,8-9H2,1-5H3,(H2,13,15,16).
What are the key properties of 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methylpyrazine-2,6-diamine?
2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methylpyrazine-2,6-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 80786246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).